1GG1
CRYSTAL STRUCTURE ANALYSIS OF DAHP SYNTHASE IN COMPLEX WITH MN2+ AND 2-PHOSPHOGLYCOLATE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1998-10-10 |
| Detector | RIGAKU RAXIS |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 210.357, 53.188, 149.392 |
| Unit cell angles | 90.00, 116.09, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.000 |
| R-factor | 0.211 |
| Rwork | 0.209 |
| R-free | 0.23700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 23.100 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.051 | 0.157 |
| Total number of observations | 357597 * | |
| Number of reflections | 98421 | |
| <I/σ(I)> | 19.6 | 6.7 |
| Completeness [%] | 97.7 | 96.3 |
| Redundancy | 3.6 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.7 | 295 | PEG 1000, 1,3-bis[tris(hydroxy-methyl)methylamino]propane, manganese sulfate, lithium sulfate, 2-phosphoglycolic acid, pH 8.7, VAPOR DIFFUSION, HANGING DROP, temperature 295.0K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 7.5 (mg/ml) | |
| 10 | 1 | reservoir | BTP | 50 (mM) | |
| 2 | 1 | drop | 0.37 (mM) | ||
| 3 | 1 | drop | PGL | 4.2 (mM) | |
| 4 | 1 | drop | 0.1 (M) | ||
| 5 | 1 | drop | PEG1000 | 12 (%(w/v)) | |
| 6 | 1 | drop | BTP | 50 (mM) | |
| 7 | 1 | reservoir | PEG1000 | 19 (%) | |
| 8 | 1 | reservoir | 0.1 (M) | ||
| 9 | 1 | reservoir | ethanol | 20 (%(v/v)) |
